SCHEMBL3969980

SCHEMBL3969980

Cc1cc(/C=C/C(=O)c2ccc(I)cc2)c(OC(C)C)c(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
KRAS P01116 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3969812 0.90 CAPN1 (0.45) SMN1; SMN2
SCHEMBL1778808 0.89 CA1 (0.48) CXCL12CA1CA2ABCG2KRAS
SCHEMBL3972097 0.89 LMNA (0.46) CXCL12CA1CA2ABCG2KRAS
SCHEMBL3964836 0.89 ALDH1A1 (0.48) CXCL12CA1CA2ABCG2KRAS
SCHEMBL499277 0.89 CA1 (0.48) CXCL12CA1CA2ABCG2KRAS
SCHEMBL498833 0.89 MAPT (0.44) CXCL12CA1CA2ALDH1A1ATM
SCHEMBL3970906 0.88 KRAS (0.51) CXCL12ABCG2KRASALDH1A1SMN1; SMN2
SCHEMBL29386613 0.87 PPARG (0.47) ALDH1A1SMN1; SMN2
SCHEMBL3970943 0.87 MAOB (0.48) CA1CA2ABCG2KRAS
SCHEMBL498671 0.87 PPARG (0.47) ALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566737-B2 Combinations of substituted 1,3-diphenylprop-2-en-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2009-07-28 US claimed
US-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2007-02-08 US claimed
US-7566737-B2 Combinations of substituted 1,3-diphenylprop-2-en-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2009-07-28 US disclosed
US-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2007-02-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients PSEN1, BACE1, PSEN2 CXCL12 361/4885CA1 4658/4885CA2 4330/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.